2-[[(E)-2-cyano-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-(2-thienylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-(2-thenyloxy)phenyl]acryloyl]amino]benzoic acid Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OCC3=CC=CS3

InChI

InChI=1S/C23H18N2O5S/c1-29-21-12-15(8-9-20(21)30-14-17-5-4-10-31-17)11-16(13-24)22(26)25-19-7-3-2-6-18(19)23(27)28/h2-12H,14H2,1H3,(H,25,26)(H,27,28)/b16-11+